2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide

C15H16N2O2 — CID 3154716

IUPAC2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O2/c1-12-4-6-14(7-5-12)19-11-15(18)17-10-13-3-2-8-16-9-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyPHMYRQDUWBSLJD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.09
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide

2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 3154716) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID3154716
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O2/c1-12-4-6-14(7-5-12)19-11-15(18)17-10-13-3-2-8-16-9-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyPHMYRQDUWBSLJD-UHFFFAOYSA-N
XLogP2.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide (CID 3154716) is 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(OCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PHMYRQDUWBSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12-4-6-14(7-5-12)19-11-15(18)17-10-13-3-2-8-16-9-13/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 3154716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).